3-methyl-1-(2-methylquinolin-6-yl)-N-propylbutan-1-amine

C18H26N2 — CID 81220093

IUPAC3-methyl-1-(2-methylquinolin-6-yl)-N-propylbutan-1-amine
SMILESCCCNC(CC(C)C)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C18H26N2/c1-5-10-19-18(11-13(2)3)16-8-9-17-15(12-16)7-6-14(4)20-17/h6-9,12-13,18-19H,5,10-11H2,1-4H3
InChIKeyUSDVGHMVLZQHJX-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.63
Rot. Bonds6

About 3-methyl-1-(2-methylquinolin-6-yl)-N-propylbutan-1-amine

3-methyl-1-(2-methylquinolin-6-yl)-N-propylbutan-1-amine (PubChem CID 81220093) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 3-methyl-1-(2-methylquinolin-6-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-1-(2-methylquinolin-6-yl)-N-propylbutan-1-amine
PubChem CID81220093
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name3-methyl-1-(2-methylquinolin-6-yl)-N-propylbutan-1-amine
SMILESCCCNC(CC(C)C)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C18H26N2/c1-5-10-19-18(11-13(2)3)16-8-9-17-15(12-16)7-6-14(4)20-17/h6-9,12-13,18-19H,5,10-11H2,1-4H3
InChIKeyUSDVGHMVLZQHJX-UHFFFAOYSA-N
XLogP4.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-1-(2-methylquinolin-6-yl)-N-propylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methylquinolin-6-yl)-N-propylpropan-1-amine
CID 81220852
2-(2-methylquinolin-6-yl)-2-(propylamino)ethanol
CID 105379248
3-(2-methylquinolin-6-yl)-3-(propylamino)propan-1-ol
CID 105379697
1-(2-methylquinolin-6-yl)-3-methylsulfanyl-N-propylpropan-1-amine
CID 105172233
N-[1-(2-methylquinolin-6-yl)-2-propylsulfanylethyl]propan-1-amine
CID 81228646
methyl 3-(2-methylquinolin-6-yl)-3-(propylamino)propanoate
CID 105379694
3-methyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine
CID 63155465
2-(2-methylpropylamino)-2-(2-methylquinolin-6-yl)ethanol
CID 105379246
N,4-dimethyl-1-(2-methylquinolin-6-yl)pentan-1-amine
CID 81231235
N-[(2-methylquinolin-6-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine
CID 81229898
N-[(2-methylquinolin-6-yl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 105379123
2-ethylsulfanyl-N-methyl-1-(2-methylquinolin-6-yl)ethanamine
CID 81232115

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylquinolin-6-yl)-N-propylbutan-1-amine?
The IUPAC name of 3-methyl-1-(2-methylquinolin-6-yl)-N-propylbutan-1-amine (CID 81220093) is 3-methyl-1-(2-methylquinolin-6-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 3-methyl-1-(2-methylquinolin-6-yl)-N-propylbutan-1-amine?
The canonical SMILES for 3-methyl-1-(2-methylquinolin-6-yl)-N-propylbutan-1-amine is CCCNC(CC(C)C)c1ccc2nc(C)ccc2c1.
What is the InChIKey of 3-methyl-1-(2-methylquinolin-6-yl)-N-propylbutan-1-amine?
The InChIKey is USDVGHMVLZQHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-5-10-19-18(11-13(2)3)16-8-9-17-15(12-16)7-6-14(4)20-17/h6-9,12-13,18-19H,5,10-11H2,1-4H3.
What are the key properties of 3-methyl-1-(2-methylquinolin-6-yl)-N-propylbutan-1-amine?
3-methyl-1-(2-methylquinolin-6-yl)-N-propylbutan-1-amine has a molecular weight of 270.42 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylquinolin-6-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 81220093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).